SCHEMBL6671775

SCHEMBL6671775

CCNC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.71
PTGS1 P23219 18/20 0.71
ALOX5 P09917 10/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6671305 0.91 PTGS2 (0.68) PTGS2PTGS1ALOX5
SCHEMBL6669025 0.86 PTGS2 (0.76) PTGS2PTGS1ALOX5
SCHEMBL7789068 0.85 PTGS2 (0.74) PTGS2PTGS1ALOX5
SCHEMBL7796089 0.83 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL8106974 0.73 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL4614280 0.73 PTGS2 (0.81) PTGS2PTGS1ALOX5
SCHEMBL7564450 0.72 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL6956642 0.72 PTGS2 (0.59) PTGS2PTGS1ALOX5
SCHEMBL4612949 0.71 PTGS2 (1.00) PTGS2PTGS1ALOX5
SCHEMBL7799590 0.71 PTGS2 (0.73) PTGS2PTGS1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879231-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-09-22 EP disclosed
US-5684041-A FOR TREATING ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1997-11-04 US disclosed